UCSF

ZINC35679775

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.30 4.61 -112.35 4 5 2 62 279.384 5
Hi High (pH 8-9.5) 0.30 2.7 -55.77 3 5 1 60 278.376 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )